Diffuse basis sets make the one-particle density matrix artificially non-local because the inverse overlap matrix decays slowly; a CABS singles correction with compact basis sets restores accuracy without the sparsity loss.
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The Conundrum of Diffuse Basis Sets: A Blessing for Accuracy yet a Curse for Sparsity
Diffuse basis sets make the one-particle density matrix artificially non-local because the inverse overlap matrix decays slowly; a CABS singles correction with compact basis sets restores accuracy without the sparsity loss.